ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate

C20H31N3O5S — CID 33143034

IUPACethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1
InChIInChI=1S/C20H31N3O5S/c1-4-23(5-2)29(26,27)16-9-10-18(22-13-7-8-14-22)17(15-16)21-19(24)11-12-20(25)28-6-3/h9-10,15H,4-8,11-14H2,1-3H3,(H,21,24)
InChIKeyYDIFTJOYRRRFMZ-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.60
Rot. Bonds10

About ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate

ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate (PubChem CID 33143034) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
PubChem CID33143034
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC Nameethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1
InChIInChI=1S/C20H31N3O5S/c1-4-23(5-2)29(26,27)16-9-10-18(22-13-7-8-14-22)17(15-16)21-19(24)11-12-20(25)28-6-3/h9-10,15H,4-8,11-14H2,1-3H3,(H,21,24)
InChIKeyYDIFTJOYRRRFMZ-UHFFFAOYSA-N
XLogP2.60
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]piperidine-1-carboxylate
CID 31504732
ethyl 4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylanilino)-4-oxobutanoate
CID 4005240
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]cyclopropanecarboxamide
CID 7478657
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]cyclobutanecarboxamide
CID 7551410
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667323
2-amino-N-[5-(diethylsulfamoyl)-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 119829594
N-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 43054838
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 4092642
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]-3,5-dimethoxybenzamide
CID 4796940
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
N-[5-(diethylsulfamoyl)-2-piperidin-1-ylphenyl]oxane-4-carboxamide
CID 30970754

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate (CID 33143034) is ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1.
What is the InChIKey of ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate?
The InChIKey is YDIFTJOYRRRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-4-23(5-2)29(26,27)16-9-10-18(22-13-7-8-14-22)17(15-16)21-19(24)11-12-20(25)28-6-3/h9-10,15H,4-8,11-14H2,1-3H3,(H,21,24).
What are the key properties of ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate?
ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate has a molecular weight of 425.55 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylanilino]-4-oxobutanoate is sourced from PubChem (CID 33143034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).